SCHEMBL830073

SCHEMBL830073

CCOC(=O)c1[nH]c2ccc(CC)cc2c1I

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.54
ALDH1A1 P00352 7/20 0.54
MAPT P10636 3/20 0.54
RAB9A P51151 3/20 0.54
GAA P10253 3/20 0.54
NPC1 O15118 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
TP53 P04637 1/20 0.54
HPGD P15428 5/20 0.53
GABRA1 P14867 2/20 0.52
GABRB2 P47870 1/20 0.52
CYP1A2 P05177 1/20 0.48
XBP1 P17861 1/20 0.48
CYP2C19 P33261 1/20 0.48
HSD17B10 Q99714 3/20 0.47
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47
HCRTR1 O43613 2/20 0.47
ALOX15 P16050 2/20 0.46
TSHR P16473 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2351650 0.87 GABRA1 (0.60) KDM4EALDH1A1MAPTRAB9AGAA
SCHEMBL830378 0.87 ALDH1A1 (0.71) KDM4EALDH1A1MAPTRAB9AGAA
SCHEMBL1259124 0.86 KDM4E (0.61) KDM4EALDH1A1MAPTRAB9AGAA
SCHEMBL26213303 0.85 KMT2A (0.56) KDM4EALDH1A1MAPTRAB9AGAA
SCHEMBL829181 0.85 ALDH1A1 (0.66) KDM4EALDH1A1MAPTRAB9AGAA
SCHEMBL333983 0.85 ALDH1A1 (0.53) KDM4EALDH1A1MAPTRAB9AGAA
SCHEMBL13906461 0.84 ALDH1A1 (0.56) KDM4EALDH1A1MAPTRAB9AGAA
SCHEMBL14300889 0.84 PPARG (0.50) KDM4EALDH1A1MAPTRAB9ANPC1
SCHEMBL8860540 0.82 GABRA1 (0.45) KDM4EALDH1A1MAPTRAB9ANPC1
SCHEMBL7086632 0.82 ALDH1A1 (0.58) KDM4EALDH1A1MAPTRAB9AGAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2197842-B1 2, 3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS SCHERING CORP (US) 2012-05-23 EP disclosed
US-8143305-B2 2,3-substituted indole derivatives for treating viral infections SCHERING CORPORATION (US) 2012-03-27 US disclosed
US-8143305-B2 2,3-substituted indole derivatives for treating viral infections SCHERING CORPORATION (US) 2012-03-27 US disclosed
US-8143305-B2 2,3-substituted indole derivatives for treating viral infections SCHERING CORPORATION (US) 2012-03-27 US disclosed
US-20110104110-A1 SUBSTITUTED INDOLE DERIVATIVES AND METHODS OF USE THEREOF SHERING CORPORATION 2011-05-05 US disclosed
US-20110104110-A1 SUBSTITUTED INDOLE DERIVATIVES AND METHODS OF USE THEREOF SHERING CORPORATION 2011-05-05 US disclosed
US-20110104109-A1 TETRACYCLIC INDOLE DERIVATIVES AND THEIR USE FOR TREATING OR PREVENTING VIRAL INFECTIONS MERCK SHARP & DOHME CORP. 2011-05-05 US disclosed
US-20110104109-A1 TETRACYCLIC INDOLE DERIVATIVES AND THEIR USE FOR TREATING OR PREVENTING VIRAL INFECTIONS MERCK SHARP & DOHME CORP. 2011-05-05 US disclosed
US-20110033417-A1 2,3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS MERCK SHARP & DOHME CORP. 2011-02-10 US disclosed
US-20110033417-A1 2,3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS MERCK SHARP & DOHME CORP. 2011-02-10 US disclosed
US-20110033417-A1 2,3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS MERCK SHARP & DOHME CORP. 2011-02-10 US disclosed
EP-2197842-A1 2, 3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS SCHERING CORPORATION (US) 2010-06-23 EP disclosed
WO-2009032116-A1 2, 3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS SCHERING CORPORATION (US) 2009-03-12 WO disclosed
WO-2009032116-A1 2, 3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS SCHERING CORPORATION (US) 2009-03-12 WO disclosed
WO-2009032124-A1 SUBSTITUTED INDOLE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION (US) 2009-03-12 WO disclosed
WO-2009032123-A2 TETRACYCLIC INDOLE DERIVATIVES AND THEIR USE FOR TREATING OR PREVENTING VIRAL INFECTIONS SCHERING CORPORATION (US) 2009-03-12 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110104109-A1 TETRACYCLIC INDOLE DERIVATIVES AND THEIR USE FOR TREATING OR PREVENTING VIRAL INFECTIONS IDO1, IDO2, ZC3HAV1 KDM4E 2071/4885ALDH1A1 2482/4885MAPT 424/4885
US-20110033417-A1 2,3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS IDO2, IDO1, IRF3 KDM4E 1061/4885ALDH1A1 1792/4885MAPT 1047/4885
US-20110104110-A1 SUBSTITUTED INDOLE DERIVATIVES AND METHODS OF USE THEREOF IDO1, IDO2, INMT KDM4E 1111/4885ALDH1A1 800/4885MAPT 1061/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.